Sophie

Sophie

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psi4-doc-4.0-0.11.0c7ea92git.fc20.noarch.rpm

:term:`INTERFRAG_STEP_LIMIT <INTERFRAG_STEP_LIMIT (OPTKING)>`
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""

      Maximum step size in bohr or radian along an interfragment coordinate

      * **Type**: double
      * **Default**: 0.4